Molecular Docking of South Sulawesi Propolis against Fructose 1,6-Bisphosphatase as a Type 2 Diabetes Mellitus Drug
Diabetes mellitus is one of the metabolic diseases, characterized by hyperglycemia, which is usually caused by endogenous glucose production through gluconeogenesis. Furthermore, fructose 1,6-bisphosphatase (FBPase), which is the last enzyme involved in gluconeogenesis, is used as inhibition tar...
| Main Authors: | , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Universitas Indonesia
2020-11-01
|
| Series: | International Journal of Technology |
| Subjects: | |
| Online Access: | https://ijtech.eng.ui.ac.id/article/view/4332 |
| Summary: | Diabetes
mellitus is one of the metabolic diseases, characterized by hyperglycemia,
which is usually caused by endogenous glucose production through
gluconeogenesis. Furthermore, fructose 1,6-bisphosphatase (FBPase), which is
the last enzyme involved in gluconeogenesis, is used as inhibition target due
to its relatively safe effect. In addition, It is known that propolis has shown
antidiabetic activity through some sets of mechanisms due to its varied
constituents. Therefore, this study aims to explore the antidiabetic activity
of South Sulawesi propolis compounds against the allosteric site of FBPase (PDB
ID: 3KC1) through molecular docking on Autodock Vina. The results show that 18
out of 30 propolis compounds outweigh AMP affinity. Furthermore, only two
flavonoids showed 100% interaction similarity to the re-docked native ligand
and AMP natural inhibition. These two compounds were Broussoflavonol F and
Glyasperin A, which had docking score of -9 kcal/mol and -8.2 kcal/mol,
respectively. This indicates that both compounds are capable of being used as
FBPase inhibitors for the treatment of diabetes mellitus. |
|---|---|
| ISSN: | 2086-9614 2087-2100 |